HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3851",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3849",
"results": [
{
"id": "jvasp-32367",
"created_at": "2022-09-04T14:36:34.240187Z",
"updated_at": "2022-09-04T14:36:34.240215Z",
"structure_string": "Hg4 N4 O8\n1.0\n4.334587 -0.029068 0.000000\n-2.020386 5.894183 0.000000\n0.000000 0.000000 10.825698\nHg N O\n4 4 8\ndirect\n0.844850 0.854191 0.916368 Hg\n0.155149 0.645808 0.416368 Hg\n0.155149 0.145808 0.083632 Hg\n0.844851 0.354191 0.583632 Hg\n0.313380 0.504366 0.787698 N\n0.686620 -0.004366 0.287698 N\n0.686619 0.495633 0.212303 N\n0.313381 0.004366 0.712303 N\n0.607165 0.613317 0.754773 O\n0.392834 0.886682 0.254772 O\n0.392835 0.386682 0.245228 O\n0.607165 0.113317 0.745228 O\n0.234061 0.546718 0.892842 O\n0.765938 0.953281 0.392842 O\n0.765939 0.453282 0.107158 O\n0.234061 0.046718 0.607158 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hg",
"N",
"O"
],
"chemical_system": "Hg-N-O",
"density": 5.935624804231691,
"density_atomic": 0.05798186598211801,
"volume": 275.9483457282059,
"volume_molar": 10.386248627902503,
"formula_full": "Hg4 N4 O8",
"formula_reduced": "HgNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0351212125,
"spacegroup": 14
},
{
"id": "jvasp-85301",
"created_at": "2022-09-04T14:35:51.705053Z",
"updated_at": "2022-09-04T14:35:51.705070Z",
"structure_string": "K2 C8 N6\n1.0\n3.777252 0.022474 0.165545\n-0.104712 8.404713 2.247737\n-0.136806 0.057652 8.701849\nK C N\n2 8 6\ndirect\n0.766935 0.176623 0.801882 K\n0.233064 0.823376 0.198120 K\n0.589402 0.722200 0.582599 C\n0.410597 0.277799 0.417402 C\n0.577793 0.312496 0.266154 C\n0.673257 0.470401 0.189754 C\n0.332903 0.812290 0.801098 C\n0.422206 0.687503 0.733847 C\n0.667096 0.187709 0.198904 C\n0.326742 0.529598 0.810247 C\n0.729002 0.751282 0.456222 N\n0.749802 0.603711 0.130651 N\n0.270997 0.248717 0.543780 N\n0.740941 0.080724 0.145882 N\n0.250197 0.396288 0.869350 N\n0.259058 0.919275 0.854120 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"C",
"N"
],
"chemical_system": "C-K-N",
"density": 1.55435964756104,
"density_atomic": 0.057977613044854874,
"volume": 275.9685878689325,
"volume_molar": 10.387010509282124,
"formula_full": "K2 C8 N6",
"formula_reduced": "KC4N3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 5.63756721875,
"spacegroup": 2
},
{
"id": "jvasp-103864",
"created_at": "2022-09-04T14:37:06.064843Z",
"updated_at": "2022-09-04T14:37:06.064864Z",
"structure_string": "H12 C14 N4 O2\n1.0\n4.618844 0.049885 0.035836\n0.158040 6.293416 0.399587\n-0.055099 0.161670 9.506241\nH C N O\n12 14 4 2\ndirect\n0.128398 0.146990 0.785010 H\n0.469370 0.089890 0.667511 H\n0.971708 0.333707 0.225865 H\n0.299181 0.615637 0.294122 H\n0.291747 0.877077 0.145074 H\n0.304297 0.424600 0.532010 H\n0.136790 -0.000995 0.361368 H\n0.482651 0.571956 0.946586 H\n0.312672 0.276625 0.108378 H\n0.149303 0.546542 0.748306 H\n0.141856 0.807942 0.599252 H\n0.958411 0.851651 0.946798 H\n0.953366 0.092286 0.398488 C\n0.576795 0.142298 0.570014 C\n0.487711 0.331311 0.494888 C\n0.677774 0.726398 0.207917 C\n0.810849 0.020156 0.522296 C\n0.630219 0.403436 0.371077 C\n0.864282 0.281298 0.323361 C\n0.623154 0.044367 0.039347 C\n0.950463 0.175806 0.856884 C\n0.763262 0.697201 0.685462 C\n0.817904 0.379241 0.854039 C\n0.490600 0.247805 0.036504 C\n0.585636 0.414362 0.945267 C\n0.855425 0.009247 0.948121 C\n0.920997 0.833348 0.598630 N\n0.929087 0.543573 0.761867 N\n0.511960 0.880034 0.131514 N\n0.520043 0.590239 0.294741 N\n0.492373 0.709546 0.693767 O\n0.948659 0.714054 0.199615 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.6142159076993563,
"density_atomic": 0.11595495017561902,
"volume": 275.9692445344899,
"volume_molar": 5.193517612554872,
"formula_full": "H12 C14 N4 O2",
"formula_reduced": "H6C7N2O",
"formula_anonymous": "AB2C6D7",
"energy_above_hull": 5.479144999999999,
"spacegroup": 2
},
{
"id": "jvasp-54712",
"created_at": "2022-09-04T14:37:27.213994Z",
"updated_at": "2022-09-04T14:37:27.214015Z",
"structure_string": "H4 W4 O14\n1.0\n5.182584 5.182584 -0.000000\n0.000000 5.182584 5.137771\n5.182584 0.000000 5.137771\nH W O\n4 4 14\ndirect\n0.532179 0.717821 0.717821 H\n0.717820 0.532179 0.532179 H\n0.467820 0.282179 0.282179 H\n0.282179 0.467821 0.467821 H\n-0.000000 0.500000 0.000000 W\n-0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.000000 W\n0.000000 0.000000 0.000000 W\n0.306069 0.943930 0.306070 O\n0.943929 0.306070 0.943930 O\n0.306069 0.306070 0.943930 O\n0.943929 0.943930 0.306070 O\n0.939176 0.310823 0.310823 O\n0.310822 0.939177 0.939177 O\n0.056069 0.056070 0.693930 O\n0.056069 0.693930 0.056070 O\n0.693930 0.693930 0.056070 O\n0.624999 0.625000 0.625000 O\n0.060822 0.689177 0.689177 O\n0.689177 0.060823 0.060823 O\n0.693930 0.056070 0.693930 O\n0.374999 0.375000 0.375000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"H",
"W",
"O"
],
"chemical_system": "H-O-W",
"density": 5.796299257710898,
"density_atomic": 0.07971228199745839,
"volume": 275.99260049663945,
"volume_molar": 7.55484676776913,
"formula_full": "H4 W4 O14",
"formula_reduced": "H2W2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.9997267727272727,
"spacegroup": 141
},
{
"id": "jvasp-22745",
"created_at": "2022-09-04T14:37:31.136911Z",
"updated_at": "2022-09-04T14:37:31.136942Z",
"structure_string": "Mg4 As6 Ir7\n1.0\n6.697769 -0.000000 -2.368019\n-3.348884 5.800439 -2.368019\n0.000000 0.000000 7.104057\nMg As Ir\n4 6 7\ndirect\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 -0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.312823 0.312823 As\n0.312823 0.000000 0.312823 As\n0.000001 0.687177 0.687177 As\n0.687178 0.687177 0.000000 As\n0.312823 0.312823 0.000000 As\n0.687177 0.000000 0.687177 As\n0.500001 0.750000 0.250000 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.250000 0.750000 Ir\n0.750000 0.250000 0.500000 Ir\n0.250000 0.500000 0.750000 Ir\n0.750001 0.500000 0.250000 Ir\n0.250001 0.750000 0.500000 Ir\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Mg",
"As",
"Ir"
],
"chemical_system": "As-Ir-Mg",
"density": 11.385036150177012,
"density_atomic": 0.06159585033127528,
"volume": 275.99261814830817,
"volume_molar": 9.776861148294367,
"formula_full": "Mg4 As6 Ir7",
"formula_reduced": "Mg4As6Ir7",
"formula_anonymous": "A4B6C7",
"energy_above_hull": 3.136067905882353,
"spacegroup": 229
},
{
"id": "jvasp-108599",
"created_at": "2022-09-04T14:38:27.243233Z",
"updated_at": "2022-09-04T14:38:27.243243Z",
"structure_string": "Rb2 Li1 Gd1 Cl6\n1.0\n6.329088 -0.000000 3.654100\n2.109696 5.967121 3.654100\n-0.000000 -0.000000 7.308201\nRb Li Gd Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Gd\n0.744104 0.255896 0.255896 Cl\n0.255896 0.255896 0.744104 Cl\n0.255897 0.744104 0.744103 Cl\n0.255897 0.744104 0.255896 Cl\n0.744104 0.255896 0.744103 Cl\n0.744105 0.744104 0.255896 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Gd",
"Cl"
],
"chemical_system": "Cl-Gd-Li-Rb",
"density": 3.296021384155949,
"density_atomic": 0.0362312683746752,
"volume": 276.0046901087726,
"volume_molar": 16.621390942552082,
"formula_full": "Rb2 Li1 Gd1 Cl6",
"formula_reduced": "Rb2LiGdCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.4834717904999996,
"spacegroup": 225
},
{
"id": "jvasp-106569",
"created_at": "2022-09-04T14:36:55.400925Z",
"updated_at": "2022-09-04T14:36:55.400952Z",
"structure_string": "Pm2 Nd6\n1.0\n7.330648 -0.000000 0.000000\n-3.665324 6.348528 0.000000\n-0.000000 -0.000000 5.930710\nPm Nd\n2 6\ndirect\n0.666667 0.333333 0.250000 Pm\n0.333334 0.666667 0.750000 Pm\n0.833129 0.166872 0.750000 Nd\n0.333743 0.166872 0.750000 Nd\n0.833129 0.666257 0.750000 Nd\n0.166872 0.833129 0.250000 Nd\n0.666258 0.833129 0.250000 Nd\n0.166872 0.333743 0.250000 Nd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Nd"
],
"chemical_system": "Nd-Pm",
"density": 6.951506162406887,
"density_atomic": 0.02898463882081723,
"volume": 276.0082693959351,
"volume_molar": 20.777008115329014,
"formula_full": "Pm2 Nd6",
"formula_reduced": "PmNd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.62675141875,
"spacegroup": 194
},
{
"id": "jvasp-55016",
"created_at": "2022-09-04T14:37:39.142748Z",
"updated_at": "2022-09-04T14:37:39.142773Z",
"structure_string": "Sm4 Sn4 Pd4\n1.0\n4.685201 0.000000 0.000000\n0.000000 7.368423 0.000000\n0.000000 0.000000 7.995139\nSm Sn Pd\n4 4 4\ndirect\n0.750000 0.510414 0.796063 Sm\n0.750000 0.010414 0.703937 Sm\n0.250000 0.989585 0.296063 Sm\n0.250000 0.489585 0.203937 Sm\n0.750000 0.191881 0.087769 Sn\n0.750000 0.691880 0.412231 Sn\n0.250000 0.808119 0.912231 Sn\n0.250000 0.308119 0.587769 Sn\n0.750000 0.795964 0.083693 Pd\n0.250000 0.204036 0.916307 Pd\n0.750000 0.295964 0.416307 Pd\n0.250000 0.704036 0.583693 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sm",
"Sn",
"Pd"
],
"chemical_system": "Pd-Sm-Sn",
"density": 9.036050903473335,
"density_atomic": 0.04347628736374875,
"volume": 276.0125283835942,
"volume_molar": 13.85155247874583,
"formula_full": "Sm4 Sn4 Pd4",
"formula_reduced": "SmSnPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7636687583333335,
"spacegroup": 62
},
{
"id": "jvasp-29847",
"created_at": "2022-09-04T14:37:02.153356Z",
"updated_at": "2022-09-04T14:37:02.153367Z",
"structure_string": "Ti6 H4 O14\n1.0\n7.930088 1.878857 -1.642714\n-7.930088 1.878857 1.642714\n-0.043171 0.000000 9.271685\nTi H O\n6 4 14\ndirect\n0.768831 0.231170 0.785133 Ti\n0.232464 0.767538 0.212404 Ti\n0.824183 0.175818 0.486635 Ti\n0.167426 0.832575 0.522295 Ti\n0.880953 0.119048 0.168319 Ti\n0.117018 0.882983 0.826571 Ti\n0.072332 0.927670 0.242424 H\n0.980838 0.019163 0.469668 H\n-0.000174 0.000174 0.035203 H\n0.954548 0.045454 0.792642 H\n0.291748 0.708254 0.454520 O\n0.703744 0.296257 0.541906 O\n0.352032 0.647969 0.181894 O\n0.649294 0.350707 0.817379 O\n0.010938 0.989063 0.863615 O\n0.990820 0.009182 0.140704 O\n0.173165 0.826836 0.030752 O\n0.923268 0.076733 0.403821 O\n0.132883 0.867119 0.310888 O\n0.862951 0.137050 0.683694 O\n0.763407 0.236594 0.253479 O\n0.829631 0.170371 0.968635 O\n0.076298 0.923704 0.599458 O\n0.237990 0.762012 0.742676 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ti",
"H",
"O"
],
"chemical_system": "H-O-Ti",
"density": 3.0995955219965396,
"density_atomic": 0.08695007034116245,
"volume": 276.0204782564543,
"volume_molar": 6.925975719595363,
"formula_full": "Ti6 H4 O14",
"formula_reduced": "Ti3H2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 3.186217458333334,
"spacegroup": 8
},
{
"id": "jvasp-35643",
"created_at": "2022-09-04T14:37:42.023340Z",
"updated_at": "2022-09-04T14:37:42.023367Z",
"structure_string": "Al4 V8 O16\n1.0\n2.864280 1.653693 9.712699\n-2.864280 -4.961080 0.000000\n2.864280 -4.961080 -0.000000\nAl V O\n4 8 16\ndirect\n0.544731 0.363154 0.818423 Al\n0.455269 0.636846 0.181577 Al\n0.922309 0.614873 0.692563 Al\n0.077691 0.385127 0.307437 Al\n0.748747 0.454051 0.272975 V\n0.251253 0.545950 0.727025 V\n0.251253 0.978278 0.727025 V\n0.748747 0.021722 0.272975 V\n0.251253 0.978278 0.294697 V\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.748747 0.021722 0.705303 V\n0.617274 0.739502 0.630249 O\n0.135821 0.254186 0.118364 O\n0.864179 0.745815 0.881636 O\n0.135821 0.254186 0.627451 O\n0.864179 0.745815 0.372549 O\n0.382726 0.260498 0.369752 O\n0.382726 0.752478 0.369752 O\n0.638042 0.758696 0.120653 O\n0.382726 0.752478 0.877772 O\n0.617274 0.247523 0.122228 O\n0.894119 0.262747 0.368627 O\n0.105881 0.737254 0.631373 O\n0.864179 0.236728 0.881636 O\n0.361958 0.241305 0.879347 O\n0.617274 0.247523 0.630249 O\n0.135821 0.763272 0.118365 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"V",
"O"
],
"chemical_system": "Al-O-V",
"density": 4.640816969832949,
"density_atomic": 0.10143700195582173,
"volume": 276.0333947191645,
"volume_molar": 5.936828419498034,
"formula_full": "Al4 V8 O16",
"formula_reduced": "AlV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.8851750285714286,
"spacegroup": 166
},
{
"id": "jvasp-42974",
"created_at": "2022-09-04T14:37:28.451456Z",
"updated_at": "2022-09-04T14:37:28.451480Z",
"structure_string": "Li2 V4 Si4 O16\n1.0\n0.000000 4.797788 -0.000503\n10.049004 0.000000 0.000000\n0.000000 -0.012266 -5.725301\nLi V Si O\n2 4 4 16\ndirect\n0.749928 0.701959 0.250353 Li\n0.250071 0.201959 0.749647 Li\n0.252289 0.467362 0.008962 V\n0.247734 0.936189 0.491083 V\n0.752265 0.436190 0.508917 V\n0.747711 0.967362 0.991037 V\n0.189705 0.794246 0.991978 Si\n0.310256 0.609286 0.508087 Si\n0.810295 0.294246 0.008021 Si\n0.689743 0.109286 0.491913 Si\n0.974794 0.594231 0.495040 O\n0.975800 0.372599 0.787670 O\n0.034441 0.881795 0.780327 O\n0.465575 0.521748 0.719717 O\n0.524293 0.030898 0.712263 O\n0.585277 0.263348 0.500801 O\n0.025205 0.094232 0.504959 O\n0.024199 0.872598 0.212329 O\n0.475707 0.530898 0.287737 O\n0.534424 0.021748 0.280283 O\n0.965558 0.381795 0.219673 O\n0.914649 0.140171 0.999219 O\n0.085351 0.640170 0.000781 O\n0.474837 0.309337 0.994978 O\n0.414722 0.763348 0.499198 O\n0.525163 0.809337 0.005022 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 3.525085805371504,
"density_atomic": 0.09419131354519601,
"volume": 276.0339464586017,
"volume_molar": 6.393520308123088,
"formula_full": "Li2 V4 Si4 O16",
"formula_reduced": "LiV2(SiO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.1036587384615384,
"spacegroup": 14
},
{
"id": "jvasp-51012",
"created_at": "2022-09-04T14:37:18.445635Z",
"updated_at": "2022-09-04T14:37:18.445676Z",
"structure_string": "H4 W4 O14\n1.0\n6.711268 0.062408 0.013595\n-2.785655 6.372483 -0.204106\n-0.075884 -3.139976 6.525446\nH W O\n4 4 14\ndirect\n0.613690 0.599677 -0.011726 H\n0.352681 0.885065 0.547458 H\n0.377502 0.070848 0.068712 H\n0.859614 0.356705 0.759115 H\n0.966058 0.557956 0.509985 W\n0.068214 0.093270 0.570125 W\n0.470283 0.504955 0.378672 W\n0.938933 0.949841 0.013846 W\n0.324481 0.311719 0.583739 O\n0.740443 0.049044 0.011879 O\n0.482485 0.751502 0.602854 O\n0.942996 0.984298 0.283589 O\n0.908381 0.299014 0.626885 O\n0.281918 0.136390 0.147825 O\n0.067271 0.123596 0.833037 O\n0.071949 0.748384 0.788941 O\n0.665006 0.350330 0.394109 O\n0.825619 0.739935 0.471622 O\n0.200296 0.859750 0.492935 O\n0.738184 0.625597 0.911541 O\n0.481313 0.579182 0.175783 O\n0.122693 0.422928 0.339064 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"H",
"W",
"O"
],
"chemical_system": "H-O-W",
"density": 5.795380747961535,
"density_atomic": 0.07969965040186552,
"volume": 276.0363425569687,
"volume_molar": 7.556044135243836,
"formula_full": "H4 W4 O14",
"formula_reduced": "H2W2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 4.0008313181818185,
"spacegroup": 1
}
]
}